(E)-2-(1,3-benzothiazol-2-yl)-3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-2-yl)-3-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)acrylonitrile Formula: C20H14N4OS MolecularWeight: 358.41636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H14N4OS/c1-13-16(20(25)24(23-13)15-7-3-2-4-8-15)11-14(12-21)19-22-17-9-5-6-10-18(17)26-19/h2-11,23H,1H3/b14-11+